4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline

C10H4Cl2F3N — CID 107530946

IUPAC4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline
SMILESFc1ccc(Cl)c2nc(C(F)F)cc(Cl)c12
InChIInChI=1S/C10H4Cl2F3N/c11-4-1-2-6(13)8-5(12)3-7(10(14)15)16-9(4)8/h1-3,10H
InChIKeyCRSQHAYNBPIHHS-UHFFFAOYSA-N
MW266.05 g/mol
LogP4.62
Rot. Bonds1

About 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline

4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline (PubChem CID 107530946) has the molecular formula C10H4Cl2F3N and a molecular weight of 266.05 g/mol. Its IUPAC name is 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline.

Molecular Properties

Compound Name4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline
PubChem CID107530946
Molecular FormulaC10H4Cl2F3N
Molecular Weight266.05 g/mol
Exact Mass264.97
IUPAC Name4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline
SMILESFc1ccc(Cl)c2nc(C(F)F)cc(Cl)c12
InChIInChI=1S/C10H4Cl2F3N/c11-4-1-2-6(13)8-5(12)3-7(10(14)15)16-9(4)8/h1-3,10H
InChIKeyCRSQHAYNBPIHHS-UHFFFAOYSA-N
XLogP4.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-(difluoromethyl)-5,8-difluoroquinoline
CID 62890910
8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine
CID 107531305
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
4,8-dichloro-5-fluoro-2-phenylquinoline
CID 107530938
4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
CID 62892117
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556
8-bromo-4-chloro-2-(difluoromethyl)-5-methylquinoline
CID 82766655
4-chloro-2-(difluoromethyl)benzo[h]quinoline
CID 62890724
4-chloro-6-(difluoromethyl)-2,3-difluoropyridine
CID 118811179
8-chloro-2-ethyl-5-fluoroquinolin-4-amine
CID 107531270
2,4-dichloro-6-(difluoromethyl)-3-iodopyridine
CID 119020457
5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
CID 107370540

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline?
The IUPAC name of 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline (CID 107530946) is 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline.
What is the SMILES notation for 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline?
The canonical SMILES for 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline is Fc1ccc(Cl)c2nc(C(F)F)cc(Cl)c12.
What is the InChIKey of 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline?
The InChIKey is CRSQHAYNBPIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F3N/c11-4-1-2-6(13)8-5(12)3-7(10(14)15)16-9(4)8/h1-3,10H.
What are the key properties of 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline?
4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline has a molecular weight of 266.05 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline is sourced from PubChem (CID 107530946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).